7GPP
 
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with POB0050 | | Descriptor: | DIMETHYL SULFOXIDE, Protease 3C, methyl (5S)-1-acetyl-5-methyl-L-prolinate | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-24 | | Release date: | 2023-11-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
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7GP7
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z53825020 | | Descriptor: | 1-(ethanesulfonyl)piperidine-4-carboxylic acid, DIMETHYL SULFOXIDE, Protease 3C | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-24 | | Release date: | 2023-11-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
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7GPA
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z56978034 | | Descriptor: | (4-fluorophenoxy)acetic acid, DIMETHYL SULFOXIDE, Protease 3C | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-24 | | Release date: | 2023-11-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
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7GQ5
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z2301685688 | | Descriptor: | 1H-imidazole-5-carbonitrile, Protease 3C | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-24 | | Release date: | 2023-11-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
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7GQA
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z57299966 | | Descriptor: | (1-methyl-1H-benzimidazol-2-yl)methanol, DIMETHYL SULFOXIDE, Protease 3C | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-24 | | Release date: | 2023-11-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
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7GQJ
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z667925512 | | Descriptor: | 5-METHYL-3-PHENYL-1H-PYRAZOLE, DIMETHYL SULFOXIDE, Protease 3C | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-24 | | Release date: | 2023-11-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
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7GPF
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z760048004 | | Descriptor: | DIMETHYL SULFOXIDE, N-(6-methylpyridin-2-yl)-D-prolinamide, Protease 3C | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-24 | | Release date: | 2023-11-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
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7GPL
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z975817026 | | Descriptor: | DIMETHYL SULFOXIDE, Protease 3C, ethyl 1~{H}-pyrazole-4-carboxylate | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-24 | | Release date: | 2023-11-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
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7GOD
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1331830630 | | Descriptor: | 2-ethyl-N-(2-hydroxyphenyl)butanamide, DIMETHYL SULFOXIDE, Protease 3C | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-24 | | Release date: | 2023-11-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
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7GOJ
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1685106505 | | Descriptor: | (3M)-5-cyclobutyl-3-(1-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole, Protease 3C | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-24 | | Release date: | 2023-11-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
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7GOL
 | | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1827602749 | | Descriptor: | (2S,3R)-3-methyl-N-(1,2,3-thiadiazol-5-yl)oxolane-2-carboxamide (non-preferred name), DIMETHYL SULFOXIDE, Protease 3C | | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | | Deposit date: | 2023-08-24 | | Release date: | 2023-11-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
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7HKD
 | | Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z53825479 (DNV2_NS5A-x0172) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Saini, M, Chopra, A, Aschenbrenner, J.C, Marples, P.G, Balcomb, B.H, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E. | | Deposit date: | 2024-10-15 | | Release date: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
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7HKF
 | | Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z55669204 (DNV2_NS5A-x0191) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(1H-pyrrol-1-yl)methyl]pyridine, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Saini, M, Chopra, A, Aschenbrenner, J.C, Marples, P.G, Balcomb, B.H, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E. | | Deposit date: | 2024-10-15 | | Release date: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
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7HKE
 | | Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z53860899 (DNV2_NS5A-x0174) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Saini, M, Chopra, A, Aschenbrenner, J.C, Marples, P.G, Balcomb, B.H, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E. | | Deposit date: | 2024-10-15 | | Release date: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
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7HKN
 | | Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z952016136 (DNV2_NS5A-x0323) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-chloro-1H-benzimidazole, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Saini, M, Chopra, A, Aschenbrenner, J.C, Marples, P.G, Balcomb, B.H, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E. | | Deposit date: | 2024-10-15 | | Release date: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
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7HKG
 | | Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z56953052 (DNV2_NS5A-x0210) | | Descriptor: | 1-(4-fluorobenzene-1-sulfonyl)piperazine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Saini, M, Chopra, A, Aschenbrenner, J.C, Marples, P.G, Balcomb, B.H, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E. | | Deposit date: | 2024-10-15 | | Release date: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
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7HKK
 | | Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z802824098 (DNV2_NS5A-x0279) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-fluoro-N-(oxan-4-yl)pyridin-2-amine, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Saini, M, Chopra, A, Aschenbrenner, J.C, Marples, P.G, Balcomb, B.H, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E. | | Deposit date: | 2024-10-15 | | Release date: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
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7HKT
 | | Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z1983897532 (DNV2_NS5A-x0615) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Saini, M, Chopra, A, Aschenbrenner, J.C, Marples, P.G, Balcomb, B.H, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E. | | Deposit date: | 2024-10-15 | | Release date: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
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7HKV
 | | Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z300245038 (DNV2_NS5A-x0749) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Saini, M, Chopra, A, Aschenbrenner, J.C, Marples, P.G, Balcomb, B.H, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E. | | Deposit date: | 2024-10-15 | | Release date: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
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7HL1
 | | Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z3241250482 (DNV2_NS5A-x1037) | | Descriptor: | 1,1-bis(oxidanylidene)thietan-3-ol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Saini, M, Chopra, A, Aschenbrenner, J.C, Marples, P.G, Balcomb, B.H, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E. | | Deposit date: | 2024-10-15 | | Release date: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
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7HL3
 | | Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z1741972704 (DNV2_NS5A-x1073) | | Descriptor: | 1,2-oxazol-3-amine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Saini, M, Chopra, A, Aschenbrenner, J.C, Marples, P.G, Balcomb, B.H, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E. | | Deposit date: | 2024-10-15 | | Release date: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
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7HL6
 | | Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z31113727 (DNV2_NS5A-x1192) | | Descriptor: | 1-(pyridin-2-yl)piperidin-4-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Saini, M, Chopra, A, Aschenbrenner, J.C, Marples, P.G, Balcomb, B.H, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E. | | Deposit date: | 2024-10-15 | | Release date: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
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7HKB
 | | Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z438067480 (DNV2_NS5A-x0135) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Saini, M, Chopra, A, Aschenbrenner, J.C, Marples, P.G, Balcomb, B.H, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E. | | Deposit date: | 2024-10-15 | | Release date: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
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7HKU
 | | Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z291279160 (DNV2_NS5A-x0741) | | Descriptor: | 1-[2-(trifluoromethyloxy)phenyl]thiourea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Saini, M, Chopra, A, Aschenbrenner, J.C, Marples, P.G, Balcomb, B.H, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E. | | Deposit date: | 2024-10-15 | | Release date: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
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7HKZ
 | | Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with POB0029 (DNV2_NS5A-x0851) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Saini, M, Chopra, A, Aschenbrenner, J.C, Marples, P.G, Balcomb, B.H, Fearon, D, von Delft, F, Ruiz, F.X, Arnold, E. | | Deposit date: | 2024-10-15 | | Release date: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2
To Be Published
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